Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6583648025989532
cohesive_energy=4.00235933894197
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19, -1.04629343995053e-18, -1.7621539709049e-18, -2.98863620599824e-18, -5.1358733308850395e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.018458880269683384
Energy: -1.887412016334284
Energy: 0.607765893322494
Energy: 0.04873969947662236
Energy: 0.23870743705518407
Energy: -0.7434543082665311
Energy: -0.7312351975230386
Energy: -1.5487555190829763
Energy: -2.059154306628925
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Energy: -1.8228365598949787
Energy: -1.7740822335864401
Energy: -1.0396512029102523
Energy: -1.5079643126739497
Energy: 0.01973541902609921
Energy: -2.0750691487485162
Energy: -2.482115154951532
Energy: -1.7225738259124472
Energy: -1.787526304008142
Energy: -1.6022282230530804
Energy: -1.471911845896967
Energy: 0.01960985756838562
Energy: -2.091654733274938
Energy: -2.2079535166822395
Energy: -1.8884795201203546
Energy: -1.770010917259779
Energy: -1.6488209037054435
Energy: -1.6869185296285674
Energy: -1.4141461487303917
Energy: -1.998840808572617
Energy: -1.1384021283406693
Energy: -1.6412097656044142
Energy: -1.9159013273959549
Energy: -1.0399571304145534
Energy: -1.4706719515933822
Energy: 0.021957473560904404
Energy: -2.027520482997775
Energy: -2.42870201045437
Energy: -1.7284630706891437
Energy: -1.835315905416653
Energy: -1.6027108804448111
Energy: -1.5537920721530731

minimum gb energy = -2.482115154951532 eV
minimum distance =  2.38582488108025 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: -3.746874597665587

minimum gb energy = -4.226089000415405 eV
minimum distance =  2.19407571739616 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

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minimum gb energy = -4.493154839768558 eV
minimum distance =  2.1825415040557 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

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minimum gb energy = -2.1030781643211514 eV
minimum distance =  2.21874487606955 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

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Energy: -0.8031134785877992
Energy: -1.8592554436632804
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Energy: -2.490013429539367
Energy: -1.630064826844805
Energy: -1.3927983338014795
Energy: -2.601108431758648
Energy: -1.293934544806071

minimum gb energy = -3.1058580770377335 eV
minimum distance =  2.23904112569185 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

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Energy: -1.357721229246036

minimum gb energy = -2.1150167004378972 eV
minimum distance =  2.2247835322502 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

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minimum gb energy = -6.367640467496872 eV
minimum distance =  2.22804936584999 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

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Energy: -2.0674336387769245
Energy: -2.0835463177235427
Energy: -1.9272651856816654
Energy: -1.5901592819594381
Energy: -1.9286452905235283
Energy: -2.1603763078596496
Energy: -2.0303128609779613
Energy: -1.869995225358579
Energy: -1.871315979658471
Energy: -2.110387515915316
Energy: -1.8503777578834253
Energy: -2.133049374583662
Energy: -1.5794652841420769
Energy: -2.1268656796853893
Energy: -1.7596734708350268
Energy: -1.8803957448085722
Energy: -1.972174984486331
Energy: -1.5438764230027093
Energy: -1.5151075740363045
Energy: -1.7905255205121473
Energy: -1.6152348041188467
Energy: -2.153392912850973
Energy: -1.331989445921003
Energy: -2.795376648878657
Energy: -1.8794954411931986
Energy: -2.1918933850939513
Energy: -1.7907276797866152
Energy: -1.604871418251851
Energy: -2.223768801341865
Energy: -2.2125468330696902
Energy: -1.5846845279022321
Energy: -1.8942223448403035
Energy: -2.137527671414864
Energy: -1.5543347177548215
Energy: -2.172705431099306
Energy: -1.7923883555714095
Energy: -1.859776521829376
Energy: -1.9095289938520383
Energy: -1.6048808482014585
Energy: -1.927046595103412
Energy: -1.6358623276355087
Energy: -2.1076274363457257
Energy: -1.8675242202381301
Energy: -1.8707228917323306
Energy: -1.8413011493204137
Energy: -1.3304792709227935
Energy: -1.4600605701495335
Energy: -1.5775311181367644
Energy: -2.2298658717969793
Energy: -1.6575082628623707
Energy: -2.0791174522286657
Energy: -1.9169407333512074
Energy: -1.4420285499246386

minimum gb energy = -2.795376648878657 eV
minimum distance =  2.32282659587344 Angstroms
sigma value = 23